5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide

C13H21ClN2O4S — CID 120717636

IUPAC5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C13H21ClN2O4S/c1-10-8-12(20-3)11(14)9-13(10)21(17,18)16-5-4-15-6-7-19-2/h8-9,15-16H,4-7H2,1-3H3
InChIKeyQTJAIKYDIHZZMS-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.17
Rot. Bonds9

About 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide

5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide (PubChem CID 120717636) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
PubChem CID120717636
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide
SMILESCOCCNCCNS(=O)(=O)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C13H21ClN2O4S/c1-10-8-12(20-3)11(14)9-13(10)21(17,18)16-5-4-15-6-7-19-2/h8-9,15-16H,4-7H2,1-3H3
InChIKeyQTJAIKYDIHZZMS-UHFFFAOYSA-N
XLogP1.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methyl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120717841
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
N-(3-aminobutyl)-5-chloro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120708555
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
N-tert-butyl-5-chloro-4-methoxy-2-methylbenzenesulfonamide
CID 110757953
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide (CID 120717636) is 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide is COCCNCCNS(=O)(=O)c1cc(Cl)c(OC)cc1C.
What is the InChIKey of 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is QTJAIKYDIHZZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O4S/c1-10-8-12(20-3)11(14)9-13(10)21(17,18)16-5-4-15-6-7-19-2/h8-9,15-16H,4-7H2,1-3H3.
What are the key properties of 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide?
5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 336.84 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 120717636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).